N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide

C16H14N4O2 — CID 910024

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H14N4O2/c1-20-14(8-9-18-20)16(22)19-17-10-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-10,21H,1H3,(H,19,22)
InChIKeyPXQHQFFROBDEDK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.04
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide (PubChem CID 910024) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide
PubChem CID910024
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H14N4O2/c1-20-14(8-9-18-20)16(22)19-17-10-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-10,21H,1H3,(H,19,22)
InChIKeyPXQHQFFROBDEDK-UHFFFAOYSA-N
XLogP2.04
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide (CID 910024) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide?
The InChIKey is PXQHQFFROBDEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-14(8-9-18-20)16(22)19-17-10-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-10,21H,1H3,(H,19,22).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 910024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).